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	hartrees
Energy at 0K	-636.495956
Energy at 298.15K	-636.498063
HF Energy	-635.795413
Nuclear repulsion energy	140.591967

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3293	3110	10.25
2	A'	3278	3096	5.25
3	A'	1718	1623	27.55
4	A'	1346	1271	0.33
5	A'	1240	1172	2.81
6	A'	1194	1127	154.29
7	A'	908	857	42.16
8	A'	459	434	1.80
9	A'	270	255	5.79
10	A"	953	901	41.39
11	A"	815	770	12.12
12	A"	281	265	1.56

Atom	x (Å)	y (Å)
C1	0.000	0.487
C2	1.017	-0.369
Cl3	-1.625	-0.081
F4	2.276	0.062
H5	0.131	1.559
H6	0.920	-1.447

	C1	C2	Cl3	F4	H5	H6
C1		1.3294	1.7218	2.3149	1.0799	2.1417
C2	1.3294		2.6580	1.3308	2.1222	1.0821
Cl3	1.7218	2.6580		3.9037	2.4027	2.8889
F4	2.3149	1.3308	3.9037		2.6155	2.0289
H5	1.0799	2.1222	2.4027	2.6155		3.1080
H6	2.1417	1.0821	2.8889	2.0289	3.1080

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.966	C1	C2	H6	124.970
C2	C1	Cl3	120.640	C2	C1	H5	123.154
Cl3	C1	H5	116.206	F4	C2	H6	114.064

All results from a given calculation for CHFCHCl ((E)-1-chloro-2-fluoroethene)

using model chemistry: MP2/6-31G(2df,p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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